3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide

C10H16N2O2S — CID 106427849

IUPAC3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide
SMILESC#CCSCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H16N2O2S/c1-2-6-15-7-4-12-9(13)10(11)3-5-14-8-10/h1H,3-8,11H2,(H,12,13)
InChIKeyKWCXMQVHDBRTFW-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.41
Rot. Bonds5

About 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide

3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide (PubChem CID 106427849) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide
PubChem CID106427849
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide
SMILESC#CCSCCNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H16N2O2S/c1-2-6-15-7-4-12-9(13)10(11)3-5-14-8-10/h1H,3-8,11H2,(H,12,13)
InChIKeyKWCXMQVHDBRTFW-UHFFFAOYSA-N
XLogP-0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
1-(2-prop-2-ynylsulfanylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106432278
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
3-amino-N-(5-amino-5-oxopentyl)oxolane-3-carboxamide
CID 106235837
3-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 64892988
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
3-amino-N-[3-(methylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 64891010
3-amino-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 115519322
1-(aminomethyl)-4-methyl-N-(2-prop-2-ynylsulfanylethyl)cyclohexane-1-carboxamide
CID 106427662
7-amino-8,8-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-2-oxabicyclo[4.2.0]octane-7-carboxamide
CID 106427671
3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
CID 64892611
3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
CID 114417231

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide (CID 106427849) is 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide is C#CCSCCNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide?
The InChIKey is KWCXMQVHDBRTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-2-6-15-7-4-12-9(13)10(11)3-5-14-8-10/h1H,3-8,11H2,(H,12,13).
What are the key properties of 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide?
3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide has a molecular weight of 228.32 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-prop-2-ynylsulfanylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 106427849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).